tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate

C11H20FNO3 — CID 10082720

IUPACtert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)C[C@H]1F
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-5-7(6-14)4-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9-/m1/s1
InChIKeyXNBYUXYEHMMMIY-IWSPIJDZSA-N
MW233.28 g/mol
LogP1.62
Rot. Bonds2

About tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 10082720) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID10082720
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)C[C@H]1F
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-5-7(6-14)4-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9-/m1/s1
InChIKeyXNBYUXYEHMMMIY-IWSPIJDZSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate (CID 10082720) is tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)C[C@H]1F.
What is the InChIKey of tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is XNBYUXYEHMMMIY-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-9-5-7(6-14)4-8(9)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 233.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 10082720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).